Geometry & MOs

Info

ID:	46021
PubChem CID:	10520486
Reduced:	ClON2C19H23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-6.1
Dipole, Da:	2.38
IP(EA), eV:	-8.01(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-3-[[(2R)-2-hydroxy-2-methylbut-3-enyl]amino]quinazolin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC2CCN(CC2)CC3=CC=CC=C3)Cl

DOS

IR

Vibrations